4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid

C15H22N2O3S — CID 60810022

IUPAC4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCC(C(=O)O)CC1)NCCc1cccs1
InChIInChI=1S/C15H22N2O3S/c18-14(16-8-7-13-2-1-9-21-13)10-17-12-5-3-11(4-6-12)15(19)20/h1-2,9,11-12,17H,3-8,10H2,(H,16,18)(H,19,20)
InChIKeyTZRMYKHRLKCRQA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.64
Rot. Bonds7

About 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60810022) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60810022
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCC(C(=O)O)CC1)NCCc1cccs1
InChIInChI=1S/C15H22N2O3S/c18-14(16-8-7-13-2-1-9-21-13)10-17-12-5-3-11(4-6-12)15(19)20/h1-2,9,11-12,17H,3-8,10H2,(H,16,18)(H,19,20)
InChIKeyTZRMYKHRLKCRQA-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 35705578
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
CID 116559062
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid (CID 60810022) is 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid is O=C(CNC1CCC(C(=O)O)CC1)NCCc1cccs1.
What is the InChIKey of 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is TZRMYKHRLKCRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-14(16-8-7-13-2-1-9-21-13)10-17-12-5-3-11(4-6-12)15(19)20/h1-2,9,11-12,17H,3-8,10H2,(H,16,18)(H,19,20).
What are the key properties of 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).